# Index

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## C

C - Enum constant in enum class qsardes.elements.ElementsEnum
Ca - Enum constant in enum class qsardes.elements.ElementsEnum
calc_abs_sum(double[]) - Method in class qsardes.util.UtilsCalc
  Gets the sum of absolute values in an array.
calc_ad_sum(double[]) - Method in class qsardes.util.UtilsCalc
  Gets the average centered values in an array.
calc_average(double[]) - Method in class qsardes.util.UtilsCalc
  Gets the average of values in an array.
calc_centered_values(double[]) - Method in class qsardes.util.UtilsCalc
  Gets the average centered values in an array.
calc_col_abs_sum(double[][], int) - Method in class qsardes.util.UtilsCalc
  Gets the sum of a column absolute values in a matrix.
calc_col_sum(double[][], int) - Method in class qsardes.util.UtilsCalc
  Gets the sum of a column values in a matrix.
calc_descr_expl_hydrogens() - Method in class qsardes.cdk.CdkBuilder
  Calculates CDK descriptor values using explicit hydrogens.
calc_descr_impl_hydrogens() - Method in class qsardes.cdk.CdkBuilder
  Calculates CDK descriptor values using implicit hydrogens.
calc_ee_lse_exp_sum(double[]) - Method in class qsardes.util.UtilsCalc
  Gets the sum of the exponential part of the Log-Sum-Exp function.
calc_intrinsic_state_kier_hall(IAtom) - Method in class qsardes.molecule.Molecule
  Gets atom Kier-Hall intrinsic state value and electrons valence counts.
calc_intrinsic_state_kier_hall_elneg(IAtom) - Method in class qsardes.molecule.Molecule
  Gets atom intrinsic state based on Kier-Hall relative electronegativity value, as defined in Molconn-Z, and electrons valence counts.
calc_intrinsic_state_molconn(IAtom) - Method in class qsardes.molecule.Molecule
  Gets atom intrinsic state value calculated according to the Molconn-Z valence electrons count definition, and gets electrons valence counts.
calc_mean_topol_charge_index(double[], int[][]) - Method in class qsardes.descriptor.DescriptorTopologicalCharge
calc_mean_topol_charge_index(double[], int[][]) - Method in class qsardes.descriptor.qsarme.QsarMETopologicalCharge
calc_mean_topol_charge_index(double[], int[][]) - Method in class qsardes.descriptor.qsarwb.QsarWBTopologicalCharge
calc_sum(double[]) - Method in class qsardes.util.UtilsCalc
  Gets the sum of values in an array.
calc_vr1_sum(IAtomContainer, double[][], int) - Method in class qsardes.util.UtilsCalc
  Gets the Randic-like eigenvector-based index.
calculate_sp_ve1_sum(UtilsCalc, double[][]) - Method in class qsardes.descriptor.DescriptorBaryszMatrix
calculate_sp_ve1_sum(UtilsCalc, double[][]) - Method in class qsardes.descriptor.DescriptorDetourMatrix
calculate_sp_ve1_sum(UtilsCalc, double[][]) - Method in class qsardes.descriptor.DescriptorTopologicalDistance
calculate_sp_ve1_sum(UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarme.QsarMEBaryszMatrix
calculate_sp_ve1_sum(UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarme.QsarMEDetourMatrix
calculate_sp_ve1_sum(UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarme.QsarMETopologicalDistance
calculate_sp_ve1_sum(UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarwb.QsarWBBaryszMatrix
calculate_sp_ve1_sum(UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarwb.QsarWBDetourMatrix
calculate_sp_ve1_sum(UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarwb.QsarWBTopologicalDistance
calculate_sp_vr1_sum(IAtomContainer, UtilsCalc, double[][]) - Method in class qsardes.descriptor.DescriptorBaryszMatrix
calculate_sp_vr1_sum(IAtomContainer, UtilsCalc, double[][]) - Method in class qsardes.descriptor.DescriptorDetourMatrix
calculate_sp_vr1_sum(IAtomContainer, UtilsCalc, double[][]) - Method in class qsardes.descriptor.DescriptorTopologicalDistance
calculate_sp_vr1_sum(IAtomContainer, UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarme.QsarMEBaryszMatrix
calculate_sp_vr1_sum(IAtomContainer, UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarme.QsarMEDetourMatrix
calculate_sp_vr1_sum(IAtomContainer, UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarme.QsarMETopologicalDistance
calculate_sp_vr1_sum(IAtomContainer, UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarwb.QsarWBBaryszMatrix
calculate_sp_vr1_sum(IAtomContainer, UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarwb.QsarWBDetourMatrix
calculate_sp_vr1_sum(IAtomContainer, UtilsCalc, double[][]) - Method in class qsardes.descriptor.qsarwb.QsarWBTopologicalDistance
calculate_tsrw(int) - Method in class qsardes.descriptor.DescriptorWalkCount
calculate_tsrw(int) - Method in class qsardes.descriptor.qsarme.QsarMEWalkCount
calculate_tsrw(int) - Method in class qsardes.descriptor.qsarwb.QsarWBWalkCount
call(Molecule) - Method in class qsardes.atomconst.AtomConstAllRochElectrNeg
call(Molecule) - Method in class qsardes.atomconst.AtomConstCharge
call(Molecule) - Method in class qsardes.atomconst.AtomConstFirstIonizPot
call(Molecule) - Method in interface qsardes.atomconst.AtomConstFunctionCall
call(Molecule) - Method in class qsardes.atomconst.AtomConstIntrState
call(Molecule) - Method in class qsardes.atomconst.AtomConstIntrStateH
call(Molecule) - Method in class qsardes.atomconst.AtomConstMass
call(Molecule) - Method in class qsardes.atomconst.AtomConstNum
call(Molecule) - Method in class qsardes.atomconst.AtomConstPaulElectrNeg
call(Molecule) - Method in class qsardes.atomconst.AtomConstPolariz
call(Molecule) - Method in class qsardes.atomconst.AtomConstSandElectrNeg
call(Molecule) - Method in class qsardes.atomconst.AtomConstSigma
call(Molecule) - Method in class qsardes.atomconst.AtomConstValence
call(Molecule) - Method in class qsardes.atomconst.AtomConstVanWRad
call(Molecule) - Method in class qsardes.atomconst.AtomConstVanWVol
carbon() - Method in record class qsardes.atomconst.AtomConstResult
  Returns the value of the `carbon` record component.
Cd - Enum constant in enum class qsardes.elements.ElementsEnum
CdkBuilder - Class in qsardes.cdk
  This class runs CDK descriptors calculation and harmonize the returned values as String maps.
CdkBuilder(IMolecularDescriptor, Object[], AbstractMoleculeBuilder) - Constructor for class qsardes.cdk.CdkBuilder
  Constructs CDK descriptors calculator.
CdkTools - Class in qsardes.cdk
  This class provides tools to get and organize data from CDK descriptor classes.
CdkTools() - Constructor for class qsardes.cdk.CdkTools
  Constructs the CDK tools class.
Ce - Enum constant in enum class qsardes.elements.ElementsEnum
Cl - Enum constant in enum class qsardes.elements.ElementsEnum
clone() - Method in class qsardes.molecule.CustomEdge
Co - Enum constant in enum class qsardes.elements.ElementsEnum
configure_atoms() - Method in class qsardes.molecule.AbstractMoleculeBuilder
const_map() - Method in record class qsardes.atomconst.AtomConstResult
  Returns the value of the `const_map` record component.
const_vect() - Method in record class qsardes.atomconst.AtomConstResult
  Returns the value of the `const_vect` record component.
convert_impl_to_expl_hydrogens() - Method in class qsardes.molecule.Molecule
  Converts the hydrogens of the internal CDK atom container representation from implicit to explicit.
convert_to_double(int[][]) - Method in class qsardes.util.UtilsConv
  Convert a matrix of integers to a matrix of doubles.
Cr - Enum constant in enum class qsardes.elements.ElementsEnum
create_descr_max_map() - Method in class qsardes.descriptor.DescriptorElectrTopolStateIndex
create_descr_max_map() - Method in class qsardes.descriptor.qsarme.QsarMEElectrTopolStateIndex
create_descr_max_map() - Method in class qsardes.descriptor.qsarwb.QsarWBElectrTopolStateIndex
create_descr_min_map() - Method in class qsardes.descriptor.DescriptorElectrTopolStateIndex
create_descr_min_map() - Method in class qsardes.descriptor.qsarme.QsarMEElectrTopolStateIndex
create_descr_min_map() - Method in class qsardes.descriptor.qsarwb.QsarWBElectrTopolStateIndex
Cs - Enum constant in enum class qsardes.elements.ElementsEnum
Cu - Enum constant in enum class qsardes.elements.ElementsEnum
CustomEdge - Class in qsardes.molecule
  JGraphT customized edge.
CustomEdge() - Constructor for class qsardes.molecule.CustomEdge

A B C D E F G H I K L M N O P Q R S T U V W X Y Z
All Classes and Interfaces|All Packages|Serialized Form